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Compound Detail

CHEMBL1180622

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Oc1ccc2c(c1)OC(CNCc1ccncc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180622
Phase Preclinical
Structure Type MOL
InChI Key CMPVSRKCPJUIRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
2.27
ALogP
4
HBA
2
HBD
54.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2O2
MW 270.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.16

Data from ChEMBL 36 via Core Engine